List of works - Feng Wang

A pH-induced conformational switch in a tyrosine kinase inhibitor identified by electronic spectroscopy and quantum chemical calculations

scientific article

Adenine Tautomers: Relative Stabilities, Ionization Energies, and Mismatch with Cytosine

scientific article published in March 2006

An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione

scientific article published on 7 July 2003

An experimental and theoretical study into the valence electronic structure of bicyclo[2.2.1]hepta-2,5-dione

scientific article published on 8 May 2006

Assessment of Quantum Mechanical Models Based on Resolved Orbital Momentum Distributions of n-Butane in the Outer Valence Shell

scientific article published on 01 November 2003

Coexistence of 1,3-butadiene conformers in ionization energies and Dyson orbitals.

scientific article published in September 2005

Conformational Plasticity in Tyrosine Kinase Inhibitor-Kinase Interactions Revealed with Fluorescence Spectroscopy and Theoretical Calculations.

scientific article published on 9 April 2018

Correlation of electronic structures of three cyclic dipeptides with their photoemission spectra.

scientific article published on November 2010

Density functional study of Cu(2+)-phenylalanine complex under micro-solvation environment

scientific article

Differential attraction and repulsion of Staphylococcus aureus and Pseudomonas aeruginosa on molecularly smooth titanium films

scientific article published on 22 November 2011

Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents ⬇️

scientific article published on February 13, 2013

Dominant Carbons in trans- and cis-Resveratrol Isomerization.

scientific article published on 12 April 2017

Dynamical (e,2e) studies of tetrahydrofurfuryl alcohol.

scientific article published in June 2012

Effects of alkyl side chains on properties of aliphatic amino acids probed using quantum chemical calculations

scientific article published on 29 July 2011

Electronic structure and intramolecular interactions in three methoxyphenol isomers

article

Electronic structure of the azide group in 3 cent-azido-3 cent-deoxythymidine (AZT) compared to small azide compounds.

scientific article published on 22 July 2009

Erratum to “Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis” [Biophys. Chem. 121 (2006) 105–120]

scientific article published in February 2007

Exploring the electronic structure of 2,6-stelladione from momentum space I: the p-dominant molecular orbitals in the outer valence shell

scientific article published in December 2003

First-principles study of Carbz-PAHTDDT dye sensitizer and two Carbz-derived dyes for dye sensitized solar cells.

scientific article

Impact of ketone and amino on the inner shell of guanine.

scientific article

In silico design: extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2.

scientific article published on 3 July 2013

Inner-shell chemical shift of DNA/RNA bases and inheritance from their parent purine and pyrimidine.

scientific article

Intramolecular interactions of L-phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules

scientific article published on 30 August 2010

Investigation into the Valence Electronic Structure of Norbornene Using Electron Momentum Spectroscopy, Green's Function, and Density Functional Theories

scientific article published in October 2005

Methylation of zebularine investigated using density functional theory calculations

scientific article published on 03 May 2011

Methylation of zebularine: a quantum mechanical study incorporating interactive 3D pdf graphs.

scientific article published on August 2009

Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions

scientific article published on 8 August 2014

NMR Chemical Shift and Methylation of 4-Nitroimidazole: Experiment and Theory

scientific article published in January 2021

Norbornane: an investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories.

scientific article published in December 2004

Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis.

scientific article published on 7 February 2006

Orbital signatures of methyl in L-alanine

scientific article published on 01 May 2006

Photoelectron spectra and structures of three cyclic dipeptides: PhePhe, TyrPro, and HisGly

scientific article published on 01 March 2012

Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid

scientific article published on 01 August 2012

Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory

scientific article published on 01 January 2006

Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

scientific article published on 01 May 2018

Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene

scientific article published on 13 October 2016

Resveratrol's Hidden Hand: A Route to Optical Detection of Biomolecular Binding

scientific article published on 17 February 2018

Stereochemical analysis of ferrocene and the uncertainty of fluorescence XAFS data

scientific article

Structural impact on the methano bridge in norbornadiene, norbornene and norbornane

scientific article published in December 2004

Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

scientific article

The attachment of amino fragment to purine: inner-shell structures and spectra.

scientific article published on 19 February 2008

Toward rational design of organic dye sensitized solar cells (DSSCs): an application to the TA-St-CA dye

scientific article published on 27 December 2012

Understanding glycine conformation through molecular orbitals.

scientific article published in December 2005

Unsaturated didehydrodeoxycytidine drugs. 1. Impact of C=C positions in the sugar ring

scientific article published on 21 July 2007

Valence structures of aromatic bioactive compounds: a combined theoretical and experimental study.

scientific article published on 12 July 2012

List of works by Feng Wang

A pH-induced conformational switch in a tyrosine kinase inhibitor identified by electronic spectroscopy and quantum chemical calculations

Adenine Tautomers: Relative Stabilities, Ionization Energies, and Mismatch with Cytosine

An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione

An experimental and theoretical study into the valence electronic structure of bicyclo[2.2.1]hepta-2,5-dione

Assessment of Quantum Mechanical Models Based on Resolved Orbital Momentum Distributions of n-Butane in the Outer Valence Shell

Coexistence of 1,3-butadiene conformers in ionization energies and Dyson orbitals.

Conformational Plasticity in Tyrosine Kinase Inhibitor-Kinase Interactions Revealed with Fluorescence Spectroscopy and Theoretical Calculations.

Correlation of electronic structures of three cyclic dipeptides with their photoemission spectra.

Density functional study of Cu(2+)-phenylalanine complex under micro-solvation environment

Differential attraction and repulsion of Staphylococcus aureus and Pseudomonas aeruginosa on molecularly smooth titanium films

Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents ⬇️

Dominant Carbons in trans- and cis-Resveratrol Isomerization.

Dynamical (e,2e) studies of tetrahydrofurfuryl alcohol.

Effects of alkyl side chains on properties of aliphatic amino acids probed using quantum chemical calculations

Electronic structure and intramolecular interactions in three methoxyphenol isomers

Electronic structure of the azide group in 3 cent-azido-3 cent-deoxythymidine (AZT) compared to small azide compounds.

Erratum to “Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis” [Biophys. Chem. 121 (2006) 105–120]

Exploring the electronic structure of 2,6-stelladione from momentum space I: the p-dominant molecular orbitals in the outer valence shell

First-principles study of Carbz-PAHTDDT dye sensitizer and two Carbz-derived dyes for dye sensitized solar cells.

Impact of ketone and amino on the inner shell of guanine.

In silico design: extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2.

Inner-shell chemical shift of DNA/RNA bases and inheritance from their parent purine and pyrimidine.

Intramolecular interactions of L-phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules

Investigation into the Valence Electronic Structure of Norbornene Using Electron Momentum Spectroscopy, Green's Function, and Density Functional Theories

Methylation of zebularine investigated using density functional theory calculations

Methylation of zebularine: a quantum mechanical study incorporating interactive 3D pdf graphs.

Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions

NMR Chemical Shift and Methylation of 4-Nitroimidazole: Experiment and Theory

Norbornane: an investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories.

Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis.

Orbital signatures of methyl in L-alanine

Photoelectron spectra and structures of three cyclic dipeptides: PhePhe, TyrPro, and HisGly

Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid

Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory

Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene

Resveratrol's Hidden Hand: A Route to Optical Detection of Biomolecular Binding

Stereochemical analysis of ferrocene and the uncertainty of fluorescence XAFS data

Structural impact on the methano bridge in norbornadiene, norbornene and norbornane

Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

The attachment of amino fragment to purine: inner-shell structures and spectra.

Toward rational design of organic dye sensitized solar cells (DSSCs): an application to the TA-St-CA dye

Understanding glycine conformation through molecular orbitals.

Unsaturated didehydrodeoxycytidine drugs. 1. Impact of C=C positions in the sugar ring

Valence structures of aromatic bioactive compounds: a combined theoretical and experimental study.